<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build May 01 2024 18:10:19) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-04-03T21:11:25.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00145894"
                        xFract="0.3360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.46751306"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.675742"
                        xFract="0.63545763"
                        y3="3.28509846"
                        yFract="0.63546522"
                        z3="6.59790071"
                        zFract="0.25092983"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80706654"
                        xFract="0.9860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.38641876"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731094"
                        xFract="0.8360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.83237706"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.56944813"
                        xFract="0.79001927"
                        y3="1.49602008"
                        yFract="0.2893882"
                        z3="9.02850958"
                        zFract="0.35321666"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.20342798"
                        xFract="0.63696812"
                        y3="0.70652631"
                        yFract="0.13666954"
                        z3="6.3156449"
                        zFract="0.24680584"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217054"
                        xFract="0.9860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="7.03557408"
                        xFract="0.78781727"
                        y3="4.07099704"
                        yFract="0.78748843"
                        z3="9.04541204"
                        zFract="0.3465066"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241494"
                        xFract="0.8360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.70658276"
                        xFract="0.13670693"
                        y3="3.29266809"
                        yFract="0.63692948"
                        z3="6.3160747"
                        zFract="0.24682344"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611054"
                        xFract="0.4860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635494"
                        xFract="0.3360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.56987206"
                        xFract="0.28781918"
                        y3="1.4864403"
                        yFract="0.2875351"
                        z3="8.68118743"
                        zFract="0.34653203"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20897965"
                        xFract="0.13537566"
                        y3="0.69956648"
                        yFract="0.13532324"
                        z3="6.23184931"
                        zFract="0.2508846"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121454"
                        xFract="0.4860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.02155476"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.07281673"
                        xFract="0.2899697"
                        y3="4.08033788"
                        yFract="0.78929531"
                        z3="9.02864266"
                        zFract="0.35322423"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.45308589"
                        xFract="0.94647442"
                        y3="4.89194434"
                        yFract="0.94629142"
                        z3="10.14074496"
                        zFract="0.38657492"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.9875925"
                        xFract="0.44656522"
                        y3="2.30682825"
                        yFract="0.44622989"
                        z3="9.77595813"
                        zFract="0.38657764"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H2Ag16">
                  <atomArray count="2 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00145894"
                        xFract="0.3360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.46751306"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.67574199"
                        xFract="0.63545763"
                        y3="3.28509847"
                        yFract="0.63546522"
                        z3="6.59790058"
                        zFract="0.25092982"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80706654"
                        xFract="0.9860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.38641876"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731094"
                        xFract="0.8360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.83237706"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.56944814"
                        xFract="0.79001927"
                        y3="1.49602007"
                        yFract="0.2893882"
                        z3="9.02850958"
                        zFract="0.35321666"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.203428"
                        xFract="0.63696812"
                        y3="0.70652632"
                        yFract="0.13666954"
                        z3="6.31564486"
                        zFract="0.24680584"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217054"
                        xFract="0.9860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="7.03557404"
                        xFract="0.78781727"
                        y3="4.07099703"
                        yFract="0.78748843"
                        z3="9.04541192"
                        zFract="0.34650659"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241494"
                        xFract="0.8360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.70658275"
                        xFract="0.13670693"
                        y3="3.29266807"
                        yFract="0.63692948"
                        z3="6.31607457"
                        zFract="0.24682344"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611054"
                        xFract="0.4860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635494"
                        xFract="0.3360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.56987208"
                        xFract="0.28781918"
                        y3="1.4864403"
                        yFract="0.2875351"
                        z3="8.68118752"
                        zFract="0.34653203"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20897964"
                        xFract="0.13537566"
                        y3="0.69956646"
                        yFract="0.13532324"
                        z3="6.23184943"
                        zFract="0.2508846"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121454"
                        xFract="0.4860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.02155476"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.07281674"
                        xFract="0.2899697"
                        y3="4.08033787"
                        yFract="0.78929531"
                        z3="9.02864264"
                        zFract="0.35322423"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.45308588"
                        xFract="0.94647442"
                        y3="4.89194434"
                        yFract="0.94629142"
                        z3="10.14074508"
                        zFract="0.38657493"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.98759249"
                        xFract="0.44656522"
                        y3="2.30682824"
                        yFract="0.44622989"
                        z3="9.77595818"
                        zFract="0.38657764"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H2Ag16">
                  <atomArray count="2 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">177.6440</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Ag 06Sep2000|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Ag H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.868 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
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                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
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                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67611"
                           xFract="0.63550283"
                           y3="3.28527"
                           yFract="0.6354984"
                           z3="6.59712"
                           zFract="0.25089672"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56769"
                           xFract="0.78982267"
                           y3="1.4950"
                           yFract="0.28919088"
                           z3="9.02875"
                           zFract="0.35323237"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20304"
                           xFract="0.63690172"
                           y3="0.70654"
                           yFract="0.13667219"
                           z3="6.31541"
                           zFract="0.24679718"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03662"
                           xFract="0.78793171"
                           y3="4.07163"
                           yFract="0.78761087"
                           z3="9.04657"
                           zFract="0.34655043"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7064"
                           xFract="0.13671078"
                           y3="3.29231"
                           yFract="0.63686021"
                           z3="6.31581"
                           zFract="0.24681359"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.57089"
                           xFract="0.28793792"
                           y3="1.48698"
                           yFract="0.2876395"
                           z3="8.68213"
                           zFract="0.34656726"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20951"
                           xFract="0.13543344"
                           y3="0.69989"
                           yFract="0.13538582"
                           z3="6.23122"
                           zFract="0.25085706"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.07113"
                           xFract="0.28977234"
                           y3="4.07945"
                           yFract="0.78912356"
                           z3="9.02888"
                           zFract="0.35323945"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.45389"
                           xFract="0.9465731"
                           y3="4.89232"
                           yFract="0.94636409"
                           z3="10.13849"
                           zFract="0.38648012"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98839"
                           xFract="0.4466622"
                           y3="2.30721"
                           yFract="0.44630373"
                           z3="9.77373"
                           zFract="0.38648394"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67665"
                           xFract="0.63556739"
                           y3="3.28554"
                           yFract="0.63555063"
                           z3="6.59594"
                           zFract="0.25084671"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56505"
                           xFract="0.78952632"
                           y3="1.49348"
                           yFract="0.28889685"
                           z3="9.02911"
                           zFract="0.35325591"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20245"
                           xFract="0.63679987"
                           y3="0.70657"
                           yFract="0.13667799"
                           z3="6.31505"
                           zFract="0.24678389"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03818"
                           xFract="0.7881028"
                           y3="4.07257"
                           yFract="0.7877927"
                           z3="9.0483"
                           zFract="0.34661593"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70611"
                           xFract="0.13671513"
                           y3="3.29176"
                           yFract="0.63675382"
                           z3="6.31541"
                           zFract="0.24679875"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.57241"
                           xFract="0.28811482"
                           y3="1.48779"
                           yFract="0.28779618"
                           z3="8.68355"
                           zFract="0.34662037"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.2103"
                           xFract="0.1355197"
                           y3="0.70037"
                           yFract="0.13547867"
                           z3="6.23028"
                           zFract="0.25081593"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0686"
                           xFract="0.28947709"
                           y3="4.07811"
                           yFract="0.78886435"
                           z3="9.02923"
                           zFract="0.35326204"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.45509"
                           xFract="0.94672041"
                           y3="4.89288"
                           yFract="0.94647241"
                           z3="10.13511"
                           zFract="0.38633804"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98957"
                           xFract="0.4468052"
                           y3="2.30778"
                           yFract="0.44641399"
                           z3="9.77038"
                           zFract="0.38634313"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67775"
                           xFract="0.63570178"
                           y3="3.28606"
                           yFract="0.63565122"
                           z3="6.5936"
                           zFract="0.25074748"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55977"
                           xFract="0.78893459"
                           y3="1.49043"
                           yFract="0.28830686"
                           z3="9.02983"
                           zFract="0.353303"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20127"
                           xFract="0.63659617"
                           y3="0.70663"
                           yFract="0.1366896"
                           z3="6.31434"
                           zFract="0.24675771"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.04131"
                           xFract="0.78844568"
                           y3="4.07446"
                           yFract="0.7881583"
                           z3="9.05176"
                           zFract="0.3467469"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70555"
                           xFract="0.13672623"
                           y3="3.29067"
                           yFract="0.63654297"
                           z3="6.31461"
                           zFract="0.246769"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.57546"
                           xFract="0.28847126"
                           y3="1.4894"
                           yFract="0.28810762"
                           z3="8.68639"
                           zFract="0.34672657"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21189"
                           xFract="0.13569389"
                           y3="0.70133"
                           yFract="0.13566437"
                           z3="6.22839"
                           zFract="0.25073325"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.06355"
                           xFract="0.28888829"
                           y3="4.07543"
                           yFract="0.78834594"
                           z3="9.02992"
                           zFract="0.35330679"/>
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                           id="a17"
                           x3="8.4575"
                           xFract="0.94701673"
                           y3="4.8940"
                           yFract="0.94668906"
                           z3="10.12836"
                           zFract="0.38605426"/>
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                           id="a18"
                           x3="3.99195"
                           xFract="0.44709455"
                           y3="2.30892"
                           yFract="0.44663451"
                           z3="9.76369"
                           zFract="0.38606185"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.6770"
                           xFract="0.63561067"
                           y3="3.2857"
                           yFract="0.63558158"
                           z3="6.5952"
                           zFract="0.25081533"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56338"
                           xFract="0.78933968"
                           y3="1.49251"
                           yFract="0.28870921"
                           z3="9.02934"
                           zFract="0.35327091"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20207"
                           xFract="0.63673421"
                           y3="0.70659"
                           yFract="0.13668186"
                           z3="6.31483"
                           zFract="0.24677581"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03917"
                           xFract="0.78821104"
                           y3="4.07317"
                           yFract="0.78790877"
                           z3="9.04939"
                           zFract="0.34665717"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70594"
                           xFract="0.13671938"
                           y3="3.29142"
                           yFract="0.63668805"
                           z3="6.31516"
                           zFract="0.24678944"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.57338"
                           xFract="0.28822838"
                           y3="1.4883"
                           yFract="0.28789484"
                           z3="8.68445"
                           zFract="0.34665401"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.2108"
                           xFract="0.13557466"
                           y3="0.70067"
                           yFract="0.1355367"
                           z3="6.22968"
                           zFract="0.2507897"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0670"
                           xFract="0.28929063"
                           y3="4.07726"
                           yFract="0.78869993"
                           z3="9.02945"
                           zFract="0.35327628"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.45586"
                           xFract="0.94681584"
                           y3="4.89323"
                           yFract="0.94654012"
                           z3="10.13297"
                           zFract="0.38624806"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99033"
                           xFract="0.44689799"
                           y3="2.30814"
                           yFract="0.44648363"
                           z3="9.76826"
                           zFract="0.38625398"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67721"
                           xFract="0.63563433"
                           y3="3.28582"
                           yFract="0.63560479"
                           z3="6.59511"
                           zFract="0.25081095"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           xFract="0.78934517"
                           y3="1.49254"
                           yFract="0.28871502"
                           z3="9.02904"
                           zFract="0.35325847"/>
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                           x3="4.20198"
                           xFract="0.63671622"
                           y3="0.70662"
                           yFract="0.13668766"
                           z3="6.31461"
                           zFract="0.24676699"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03855"
                           xFract="0.78813981"
                           y3="4.07283"
                           yFract="0.787843"
                           z3="9.0494"
                           zFract="0.34665963"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70595"
                           xFract="0.13672877"
                           y3="3.29134"
                           yFract="0.63667258"
                           z3="6.31491"
                           zFract="0.2467793"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.57276"
                           xFract="0.288161"
                           y3="1.48792"
                           yFract="0.28782133"
                           z3="8.68438"
                           zFract="0.34665325"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21109"
                           xFract="0.13560885"
                           y3="0.70082"
                           yFract="0.13556572"
                           z3="6.22969"
                           zFract="0.25078917"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.06711"
                           xFract="0.28930522"
                           y3="4.0773"
                           yFract="0.78870767"
                           z3="9.02919"
                           zFract="0.35326531"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.45646"
                           xFract="0.94689143"
                           y3="4.89349"
                           yFract="0.94659041"
                           z3="10.13171"
                           zFract="0.38619464"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99091"
                           xFract="0.44696733"
                           y3="2.30843"
                           yFract="0.44653973"
                           z3="9.76698"
                           zFract="0.38619975"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="5.67784"
                           xFract="0.63570435"
                           y3="3.28619"
                           yFract="0.63567637"
                           z3="6.59486"
                           zFract="0.25079861"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56358"
                           xFract="0.78936262"
                           y3="1.49262"
                           yFract="0.28873049"
                           z3="9.02815"
                           zFract="0.35322157"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20168"
                           xFract="0.6366553"
                           y3="0.70673"
                           yFract="0.13670894"
                           z3="6.31396"
                           zFract="0.246741"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03669"
                           xFract="0.78792707"
                           y3="4.0718"
                           yFract="0.78764375"
                           z3="9.04942"
                           zFract="0.3466666"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70599"
                           xFract="0.13675668"
                           y3="3.29112"
                           yFract="0.63663002"
                           z3="6.31417"
                           zFract="0.24674925"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5709"
                           xFract="0.2879579"
                           y3="1.48679"
                           yFract="0.28760274"
                           z3="8.68417"
                           zFract="0.34665096"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21194"
                           xFract="0.13571095"
                           y3="0.70124"
                           yFract="0.13564696"
                           z3="6.22973"
                           zFract="0.25078807"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.06742"
                           xFract="0.28934373"
                           y3="4.07744"
                           yFract="0.78873475"
                           z3="9.02842"
                           zFract="0.35323283"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.45827"
                           xFract="0.9471189"
                           y3="4.89428"
                           yFract="0.94674323"
                           z3="10.12792"
                           zFract="0.38603393"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99266"
                           xFract="0.44717896"
                           y3="2.30928"
                           yFract="0.44670415"
                           z3="9.76314"
                           zFract="0.38603705"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67909"
                           xFract="0.63584464"
                           y3="3.28691"
                           yFract="0.63581564"
                           z3="6.59434"
                           zFract="0.25077317"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56387"
                           xFract="0.78939488"
                           y3="1.49279"
                           yFract="0.28876338"
                           z3="9.02638"
                           zFract="0.35314819"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20109"
                           xFract="0.6365361"
                           y3="0.70694"
                           yFract="0.13674956"
                           z3="6.31267"
                           zFract="0.2466894"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03296"
                           xFract="0.7875009"
                           y3="4.06973"
                           yFract="0.78724334"
                           z3="9.04945"
                           zFract="0.34668016"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70608"
                           xFract="0.13681417"
                           y3="3.29068"
                           yFract="0.63654491"
                           z3="6.3127"
                           zFract="0.24668953"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.56717"
                           xFract="0.28755099"
                           y3="1.48452"
                           yFract="0.28716364"
                           z3="8.68376"
                           zFract="0.34664681"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21364"
                           xFract="0.13591419"
                           y3="0.70209"
                           yFract="0.13581139"
                           z3="6.22981"
                           zFract="0.25078585"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.06806"
                           xFract="0.28942506"
                           y3="4.07771"
                           yFract="0.78878698"
                           z3="9.02687"
                           zFract="0.35316743"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.46189"
                           xFract="0.94757481"
                           y3="4.89585"
                           yFract="0.94704693"
                           z3="10.12034"
                           zFract="0.38571252"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99616"
                           xFract="0.44760028"
                           y3="2.3110"
                           yFract="0.44703687"
                           z3="9.75545"
                           zFract="0.38571123"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67909"
                           xFract="0.63585909"
                           y3="3.28676"
                           yFract="0.63578663"
                           z3="6.59381"
                           zFract="0.2507517"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56499"
                           xFract="0.78953938"
                           y3="1.49324"
                           yFract="0.28885042"
                           z3="9.02345"
                           zFract="0.35302488"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20187"
                           xFract="0.63666693"
                           y3="0.70694"
                           yFract="0.13674956"
                           z3="6.31281"
                           zFract="0.24669317"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03276"
                           xFract="0.78748951"
                           y3="4.0695"
                           yFract="0.78719884"
                           z3="9.04881"
                           zFract="0.34665481"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70636"
                           xFract="0.13680814"
                           y3="3.29123"
                           yFract="0.6366513"
                           z3="6.31289"
                           zFract="0.24669581"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.56686"
                           xFract="0.28752309"
                           y3="1.48427"
                           yFract="0.28711528"
                           z3="8.68344"
                           zFract="0.34663486"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21319"
                           xFract="0.13583678"
                           y3="0.70211"
                           yFract="0.13581526"
                           z3="6.22919"
                           zFract="0.25076159"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.06897"
                           xFract="0.28954301"
                           y3="4.07807"
                           yFract="0.78885661"
                           z3="9.02398"
                           zFract="0.35304641"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.46207"
                           xFract="0.94760789"
                           y3="4.89582"
                           yFract="0.94704112"
                           z3="10.11805"
                           zFract="0.38561844"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99625"
                           xFract="0.44761634"
                           y3="2.31099"
                           yFract="0.44703493"
                           z3="9.7531"
                           zFract="0.38561488"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67909"
                           xFract="0.63590342"
                           y3="3.2863"
                           yFract="0.63569764"
                           z3="6.5922"
                           zFract="0.25068651"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56835"
                           xFract="0.78997095"
                           y3="1.49461"
                           yFract="0.28911544"
                           z3="9.01468"
                           zFract="0.35265573"/>
                     <atom elementType="Ag"
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                           x3="4.20421"
                           xFract="0.6370575"
                           y3="0.70696"
                           yFract="0.13675343"
                           z3="6.31322"
                           zFract="0.24670406"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
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                           x3="7.03216"
                           xFract="0.78745825"
                           y3="4.06878"
                           yFract="0.78705957"
                           z3="9.04689"
                           zFract="0.34657882"/>
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                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.13679172"
                           y3="3.29288"
                           yFract="0.63697047"
                           z3="6.31346"
                           zFract="0.2467146"/>
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                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
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                           zFract="0.05000021"/>
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                           xFract="0.2874348"
                           y3="1.48355"
                           yFract="0.286976"
                           z3="8.68248"
                           zFract="0.34659899"/>
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                           x3="1.21183"
                           xFract="0.13560096"
                           y3="0.70219"
                           yFract="0.13583073"
                           z3="6.22731"
                           zFract="0.25068797"/>
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                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="4.07171"
                           xFract="0.28989756"
                           y3="4.07916"
                           yFract="0.78906746"
                           z3="9.01531"
                           zFract="0.35268331"/>
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                           x3="8.46261"
                           xFract="0.94771003"
                           y3="4.8957"
                           yFract="0.94701791"
                           z3="10.11118"
                           zFract="0.38533623"/>
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                           id="a18"
                           x3="3.9965"
                           xFract="0.44765924"
                           y3="2.31098"
                           yFract="0.447033"
                           z3="9.74604"
                           zFract="0.38532547"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
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                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
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                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
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                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.13">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67934"
                           xFract="0.63591837"
                           y3="3.28658"
                           yFract="0.63575181"
                           z3="6.59081"
                           zFract="0.25062862"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56805"
                           xFract="0.78993509"
                           y3="1.49446"
                           yFract="0.28908642"
                           z3="9.01217"
                           zFract="0.35255402"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20433"
                           xFract="0.63706895"
                           y3="0.70705"
                           yFract="0.13677084"
                           z3="6.31312"
                           zFract="0.24669954"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03294"
                           xFract="0.78757077"
                           y3="4.06897"
                           yFract="0.78709632"
                           z3="9.04699"
                           zFract="0.34658068"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a10"
                           x3="2.70735"
                           xFract="0.13681038"
                           y3="3.29293"
                           yFract="0.63698014"
                           z3="6.31333"
                           zFract="0.24670886"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.56686"
                           xFract="0.2875597"
                           y3="1.48389"
                           yFract="0.28704177"
                           z3="8.68239"
                           zFract="0.34659246"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21226"
                           xFract="0.1356673"
                           y3="0.70225"
                           yFract="0.13584234"
                           z3="6.22593"
                           zFract="0.25063036"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.07152"
                           xFract="0.28987629"
                           y3="4.07905"
                           yFract="0.78904618"
                           z3="9.01251"
                           zFract="0.35256941"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.46269"
                           xFract="0.94772634"
                           y3="4.89567"
                           yFract="0.94701211"
                           z3="10.10908"
                           zFract="0.38525017"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99657"
                           xFract="0.44768061"
                           y3="2.31088"
                           yFract="0.44701365"
                           z3="9.74387"
                           zFract="0.38523667"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
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                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="2 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.14">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="5.6800"
                           xFract="0.63595681"
                           y3="3.28733"
                           yFract="0.63589689"
                           z3="6.58711"
                           zFract="0.25047452"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
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                           x3="7.46731"
                           xFract="0.8360451"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           y3="1.49406"
                           yFract="0.28900904"
                           z3="9.00551"
                           zFract="0.35228416"/>
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                           xFract="0.63709686"
                           y3="0.7073"
                           yFract="0.1368192"
                           z3="6.31283"
                           zFract="0.24668654"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03503"
                           xFract="0.78787219"
                           y3="4.06948"
                           yFract="0.78719498"
                           z3="9.04724"
                           zFract="0.34658494"/>
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                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70773"
                           xFract="0.13686159"
                           y3="3.29306"
                           yFract="0.63700529"
                           z3="6.31299"
                           zFract="0.24669382"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.56938"
                           xFract="0.28789374"
                           y3="1.48481"
                           yFract="0.28721974"
                           z3="8.68216"
                           zFract="0.34657541"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.2134"
                           xFract="0.13584117"
                           y3="0.70243"
                           yFract="0.13587716"
                           z3="6.22225"
                           zFract="0.25047671"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.07101"
                           xFract="0.28982062"
                           y3="4.07874"
                           yFract="0.78898622"
                           z3="9.00506"
                           zFract="0.35226638"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.46289"
                           xFract="0.94776759"
                           y3="4.89559"
                           yFract="0.94699663"
                           z3="10.10349"
                           zFract="0.38502111"/>
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                           id="a18"
                           x3="3.99678"
                           xFract="0.44774185"
                           y3="2.31061"
                           yFract="0.44696143"
                           z3="9.73811"
                           zFract="0.38500091"/>
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                     <bond atomRefs2="a1 a9" order="S"/>
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                     <bond atomRefs2="a2 a6" order="S"/>
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                     <bond atomRefs2="a4 a11" order="S"/>
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                     <bond atomRefs2="a4 a9" order="S"/>
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                     <bond atomRefs2="a5 a8" order="S"/>
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                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
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                     <bond atomRefs2="a8 a17" order="S"/>
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                     <bond atomRefs2="a16 a18" order="S"/>
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                  <property dictRef="cml:molmass">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
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                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           yFract="0.44698464"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           yFract="0.83604599"
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                           zFract="0.05000021"/>
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                           xFract="0.28791554"
                           y3="1.48434"
                           yFract="0.28712882"
                           z3="8.68123"
                           zFract="0.3465384"/>
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                           xFract="0.13621867"
                           y3="0.70363"
                           yFract="0.13610928"
                           z3="6.22008"
                           zFract="0.25037884"/>
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                           xFract="0.48604463"
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                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.28980699"
                           y3="4.07916"
                           yFract="0.78906746"
                           z3="9.00255"
                           zFract="0.35216269"/>
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                           x3="8.46354"
                           xFract="0.94785446"
                           y3="4.89582"
                           yFract="0.94704112"
                           z3="10.10133"
                           zFract="0.38493079"/>
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                           x3="3.99747"
                           xFract="0.44783735"
                           y3="2.31082"
                           yFract="0.44700205"
                           z3="9.73601"
                           zFract="0.38491298"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
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                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.68208"
                           xFract="0.63618331"
                           y3="3.2886"
                           yFract="0.63614255"
                           z3="6.58538"
                           zFract="0.25039671"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.56744"
                           xFract="0.78983951"
                           y3="1.49439"
                           yFract="0.28907288"
                           z3="9.00315"
                           zFract="0.35218667"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20363"
                           xFract="0.63693323"
                           y3="0.70724"
                           yFract="0.1368076"
                           z3="6.31106"
                           zFract="0.24661675"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.03421"
                           xFract="0.7878127"
                           y3="4.06867"
                           yFract="0.78703829"
                           z3="9.04607"
                           zFract="0.3465403"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.70737"
                           xFract="0.13689179"
                           y3="3.29212"
                           yFract="0.63682346"
                           z3="6.31097"
                           zFract="0.24661345"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.56869"
                           xFract="0.28785894"
                           y3="1.48397"
                           yFract="0.28705725"
                           z3="8.68057"
                           zFract="0.34651331"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21629"
                           xFract="0.13621896"
                           y3="0.70354"
                           yFract="0.13609187"
                           z3="6.22062"
                           zFract="0.25040119"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.07131"
                           xFract="0.2898112"
                           y3="4.07936"
                           yFract="0.78910615"
                           z3="9.00293"
                           zFract="0.3521776"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.46387"
                           xFract="0.94788861"
                           y3="4.89604"
                           yFract="0.94708368"
                           z3="10.10139"
                           zFract="0.3849321"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99782"
                           xFract="0.44786715"
                           y3="2.31112"
                           yFract="0.44706008"
                           z3="9.73612"
                           zFract="0.38491617"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a16" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a13" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H2Ag16">
                     <atomArray count="2 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="18">-0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="18">0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="18">-0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="18">-0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-14.71153889</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-14.70619396</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-14.70975724</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.8830</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.2078334E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.68208"
                        xFract="0.63618331"
                        y3="3.2886"
                        yFract="0.63614255"
                        z3="6.58538"
                        zFract="0.25039671"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80707"
                        xFract="0.98604578"
                        y3="5.09746"
                        yFract="0.9860461"
                        z3="4.38642"
                        zFract="0.15000004"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731"
                        xFract="0.8360451"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000012"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.56744"
                        xFract="0.78983951"
                        y3="1.49439"
                        yFract="0.28907288"
                        z3="9.00315"
                        zFract="0.35218667"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.20363"
                        xFract="0.63693323"
                        y3="0.70724"
                        yFract="0.1368076"
                        z3="6.31106"
                        zFract="0.24661675"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217"
                        xFract="0.9860453"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="7.03421"
                        xFract="0.7878127"
                        y3="4.06867"
                        yFract="0.78703829"
                        z3="9.04607"
                        zFract="0.3465403"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241"
                        xFract="0.83604462"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000021"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.70737"
                        xFract="0.13689179"
                        y3="3.29212"
                        yFract="0.63682346"
                        z3="6.31097"
                        zFract="0.24661345"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611"
                        xFract="0.48604511"
                        y3="5.09746"
                        yFract="0.9860461"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635"
                        xFract="0.33604443"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000021"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.56869"
                        xFract="0.28785894"
                        y3="1.48397"
                        yFract="0.28705725"
                        z3="8.68057"
                        zFract="0.34651331"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.21629"
                        xFract="0.13621896"
                        y3="0.70354"
                        yFract="0.13609187"
                        z3="6.22062"
                        zFract="0.25040119"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.07131"
                        xFract="0.2898112"
                        y3="4.07936"
                        yFract="0.78910615"
                        z3="9.00293"
                        zFract="0.3521776"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.46387"
                        xFract="0.94788861"
                        y3="4.89604"
                        yFract="0.94708368"
                        z3="10.10139"
                        zFract="0.3849321"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.99782"
                        xFract="0.44786715"
                        y3="2.31112"
                        yFract="0.44706008"
                        z3="9.73612"
                        zFract="0.38491617"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H2Ag16">
                  <atomArray count="2 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
